2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

C16H24ClNO2 — CID 116765000

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-3-18-15(12-13-5-4-6-14(17)11-13)16(19-2)7-9-20-10-8-16/h4-6,11,15,18H,3,7-10,12H2,1-2H3
InChIKeyOTEXBUNOXVJJPF-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116765000) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116765000
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-3-18-15(12-13-5-4-6-14(17)11-13)16(19-2)7-9-20-10-8-16/h4-6,11,15,18H,3,7-10,12H2,1-2H3
InChIKeyOTEXBUNOXVJJPF-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine (CID 116765000) is 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)C1(OC)CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is OTEXBUNOXVJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-18-15(12-13-5-4-6-14(17)11-13)16(19-2)7-9-20-10-8-16/h4-6,11,15,18H,3,7-10,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116765000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).